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N-(4-methyl-3-{4-oxo-3H-spiro[1,3-benzoxazine-2,4'-oxan]-7-yl}phenyl)-2-(trifluoromethyl)pyridine-4-carboxamide

N-(4-methyl-3-{4-oxo-3H-spiro[1,3-benzoxazine-2,4'-oxan]-7-yl}phenyl)-2-(trifluoromethyl)pyridine-4-carboxamide

CAS: 2695505-82-7

Formula: C26H22F3N3O4

SMILES: CC1=CC=C(NC(=O)C2=CC=NC(=C2)C(F)(F)F)C=C1C1=CC=C2C(=O)NC3(CCOCC3)OC2=C1

IUPAC: N-(4-methyl-3-{4-oxo-3,4-dihydrospiro[1,3-benzoxazine-2,4'-oxan]-7-yl}phenyl)-2-(trifluoromethyl)pyridine-4-carboxamide

InChI: InChI=1S/C26H22F3N3O4/c1-15-2-4-18(31-23(33)17-6-9-30-22(13-17)26(27,28)29)14-20(15)16-3-5-19-21(12-16)36-25(32-24(19)34)7-10-35-11-8-25/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,31,33)(H,32,34)

Composition: C (62.77%), H (4.46%), F (11.46%), N (8.45%), O (12.86%)

Molar Mass: 497.474

Atom Count: 58

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 497.156240689
Formal Charge 0
FSP3 0.27
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey PSMRBBKXSFUJFX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.51
Topological Polar Surface Area 89.55
Polarizability 47.74
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2695505-82-7 $342.70-$3,312.00$342.70$1,147.70$2,162.00$3,312.00
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